5,5,5-tris(fluoranyl)-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]pentanoate

Systemtic Name: 5,5,5-tris(fluoranyl)-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]pentanoate Openeye Name: 5,5,5-trifluoro-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]pentanoate CAS Name: 5,5,5-trifluoro-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]pentanoate IUPAC Name: 5,5,5-trifluoro-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]pentanoate Traditional Name: 5,5,5-trifluoro-4-[(mesitylsulfonylamino)methyl]valerate Formula: C15H19F3NO4S- MolecularWeight: 366.37587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC(CCC(=O)[O-])C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC(CCC(=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C15H20F3NO4S/c1-9-6-10(2)14(11(3)7-9)24(22,23)19-8-12(15(16,17)18)4-5-13(20)21/h6-7,12,19H,4-5,8H2,1-3H3,(H,20,21)/p-1